2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine

C23H25Cl2N3O — CID 91589588

IUPAC2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
SMILESCCOCCCN1CCC2=NN(c3ccccc3Cl)CC2=C1c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl2N3O/c1-2-29-15-5-13-27-14-12-21-19(23(27)17-8-10-18(24)11-9-17)16-28(26-21)22-7-4-3-6-20(22)25/h3-4,6-11H,2,5,12-16H2,1H3
InChIKeyDPMZMQIZKDQRKR-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.71
Rot. Bonds7

About 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine

2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine (PubChem CID 91589588) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
PubChem CID91589588
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
SMILESCCOCCCN1CCC2=NN(c3ccccc3Cl)CC2=C1c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl2N3O/c1-2-29-15-5-13-27-14-12-21-19(23(27)17-8-10-18(24)11-9-17)16-28(26-21)22-7-4-3-6-20(22)25/h3-4,6-11H,2,5,12-16H2,1H3
InChIKeyDPMZMQIZKDQRKR-UHFFFAOYSA-N
XLogP5.71
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine (CID 91589588) is 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine is CCOCCCN1CCC2=NN(c3ccccc3Cl)CC2=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The InChIKey is DPMZMQIZKDQRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c1-2-29-15-5-13-27-14-12-21-19(23(27)17-8-10-18(24)11-9-17)16-28(26-21)22-7-4-3-6-20(22)25/h3-4,6-11H,2,5,12-16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine has a molecular weight of 430.38 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 91589588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).